1-(3,4-Dihydro-2H-1,4-thiazin-5-yl)ethanone supplier

Name
Ethanone, 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)- (9CI)
EINECS
CAS No. 164524-93-0
Article Data6
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₆H₉NOS
Boiling Point 289.4 °C at 760 mmHg
Molecular Weight 143.21
Flash Point 128.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Acetyl-2,3-dihydro-1,4-thiazine;1-(3,4-Dihydro-2H-1,4-thiazin-5-yl)ethanone;
PSA 54.40000
LogP 1.08200

1-(3,4-Dihydro-2H-1,4-thiazin-5-yl)ethanone Specification

The Ethanone,1-(3,4-dihydro-2H-1,4-thiazin-5-yl)-, with the CAS registry number 164524-93-0, is also known as 5-Acetyl-2,3-dihydro-1,4-thiazine. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₆H₉NOS and molecular weight is 143.20676. What's more, its IUPAC name and systematic name are the same which is called 1-(3,4-Dihydro-2H-1,4-thiazin-5-yl)ethanone.

Physical properties about Ethanone,1-(3,4-dihydro-2H-1,4-thiazin-5-yl)-: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.43; (8)ACD/KOC (pH 7.4): 30.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.61 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 38.76 cm³; (15)Molar Volume: 124.5 cm³; (16)Surface Tension: 38.6 dyne/cm; (17)Density: 1.15 g/cm³; (18)Flash Point: 128.8 °C; (19)Enthalpy of Vaporization: 52.87 kJ/mol; (20)Boiling Point: 289.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0022 mmHg at 25 °C.

Preparation of Ethanone,1-(3,4-dihydro-2H-1,4-thiazin-5-yl)-: it can be obtained by 1-Bromo-3,3-dimethoxy-butan-2-one and 2-Amino-ethanethiol; hydrochloride. The reaction occurs with reagent acetonitrile heating for 3 hours. The yield is 56%.

Ethanone,1-(3,4-dihydro-2H-1,4-thiazin-5-yl)- can be obtained by 1-Bromo-3,3-dimethoxy-butan-2-one and 2-Amino-ethanethiol; hydrochloride

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(\C1=C\SCCN1)C
(2) InChI: InChI=1/C6H9NOS/c1-5(8)6-4-9-3-2-7-6/h4,7H,2-3H2,1H3
(3) InChIKey: YJSKAAVPUSXIPL-UHFFFAOYAR

Product Name

Ethanone, 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)- (9CI)

1-(3,4-Dihydro-2H-1,4-thiazin-5-yl)ethanone Specification

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